Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 3/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | S100B | P04271 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9847085 | 0.85 | CYP3A4 (0.43) | NOS2NOS3S100BPOLBKDM4E | |
| SCHEMBL109396 | 0.83 | NOS2 (0.48) | NOS2NOS3S100BPOLBKDM4E | |
| SCHEMBL3668922 | 0.83 | CYP3A4 (0.37) | NOS2NOS3S100BPOLBCYP3A4 | |
| SCHEMBL9469338 | 0.82 | NOS2 (0.46) | NOS2NOS3S100BPOLBKDM4E | |
| SCHEMBL6356384 | 0.81 | NOS3 (0.42) | NOS2NOS3S100BPOLBKDM4E | |
| SCHEMBL30324471 | 0.81 | NOS3 (0.42) | NOS2NOS3S100BPOLBKDM4E | |
| SCHEMBL9359662 | 0.80 | SKP2 (0.53) | NOS2S100BPOLBKDM4ECYP3A4 | |
| Ammonia Solution, Strong SCHEMBL3635517 | 0.80 | NOS2 (0.44) | NOS2NOS3S100BPOLBKDM4E | |
| SCHEMBL3456090 | 0.79 | NOS2 (0.43) | NOS2NOS3POLBKDM4ETSHR | |
| SCHEMBL3222203 | 0.79 | ALDH1A1 (0.39) | NOS2NOS3S100BPOLBCYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7749625-B2 | Fuel for fuel cell, fuel cell and application thereof | KURITA WATER INDUSTRIES LTD. (JP) | 2010-07-06 | — | — | US | disclosed |
| US-20080233438-A1 | Fuel for fuel cell, fuel cell and application thereof | KURITA WATER INDUSTRIES LTD. (JP) | 2008-09-25 | — | — | US | disclosed |
| EP-1705740-A1 | FUEL FOR FUEL CELL, FUEL CELL AND APPLICATION THEREOF | Kurita Water Industries Ltd. (JP) | 2006-09-27 | — | — | EP | disclosed |
| US-4173645-A | INSECTICIDES, MITICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1979-11-06 | — | — | US | disclosed |